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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HTH-type transcriptional regulator EthR' and Ligand = 'BDBM50363050'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HTH-type transcriptional regulator EthR


(Mycobacterium tuberculosis)
BDBM50363050
PNG
(CHEMBL1946425)
Show SMILES FC(F)(F)CCC(=O)N1CCC(CC1)n1[nH]c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C18H20F3N3O2/c19-18(20,21)9-6-16(25)23-10-7-14(8-11-23)24-17(26)12-15(22-24)13-4-2-1-3-5-13/h1-5,12,14,22H,6-11H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>5.00E+3n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis H37Rv EthR in Mycobacterium tuberculosis H37Rv expressing GFP infected mouse in RAW264.7 cells assessed as p...


J Med Chem 55: 68-83 (2012)


Article DOI: 10.1021/jm200825u
BindingDB Entry DOI: 10.7270/Q2RX9CJW
More data for this
Ligand-Target Pair